The TIM ligand (TIM = 2,3,9,10-tetramethyl-1,4,8,11-tetraazacyclotetradeca-1,3,8,10-tetraene) has been a subject of great interest due to the macrocycle’s ability to undergo one electron reduction. Recent work on TIM has shown two reductions are localized on the a-diimine units indicating that TIM can further go another reduction into TIM2-. Due to the limited scope of the work in understanding the redox non-innocence of TIM, our lab has worked on synthesizing various 3d metal alkynyl compounds supported by TIM. As such, we have successfully generated the novel complexes: Fe(TIM)(CN)2, [Fe(TIM)(C2TES)2]PF6 and [Fe(TIM)(C2Ph)2]PF6. The Fe(TIM)(CN)2 serves as the Fe2+ analogue to the new Fe3+compounds, highlighting the difference in the absorption properties as ligand-to-metal charge transfer (LMCT) is exchanged for metal-to-ligand charge transfer (MLCT). These complexes have been characterized using single-crystal X-ray diffraction, UV-Vis spectroscopy, and cyclic and differential pulse voltammetry. Density functional theory (DFT) calculations were performed to probe electronic structure.

Exploring electronic and structural properties of Fe(TIM) complexes

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